2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

C24H19N7 — CID 145035050

IUPAC2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESC=C(/C=c1/c(-c2nc3nccc(-c4ccncc4)c3[nH]2)n[nH]/c1=C/C)c1ccccn1
InChIInChI=1S/C24H19N7/c1-3-19-18(14-15(2)20-6-4-5-10-26-20)22(31-30-19)24-28-21-17(9-13-27-23(21)29-24)16-7-11-25-12-8-16/h3-14,30H,2H2,1H3,(H,27,28,29)/b18-14+,19-3+
InChIKeyBLJFOKSIJSZFGM-OKTPQDQNSA-N
MW405.47 g/mol
LogP3.10
Rot. Bonds4

About 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 145035050) has the molecular formula C24H19N7 and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID145035050
Molecular FormulaC24H19N7
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESC=C(/C=c1/c(-c2nc3nccc(-c4ccncc4)c3[nH]2)n[nH]/c1=C/C)c1ccccn1
InChIInChI=1S/C24H19N7/c1-3-19-18(14-15(2)20-6-4-5-10-26-20)22(31-30-19)24-28-21-17(9-13-27-23(21)29-24)16-7-11-25-12-8-16/h3-14,30H,2H2,1H3,(H,27,28,29)/b18-14+,19-3+
InChIKeyBLJFOKSIJSZFGM-OKTPQDQNSA-N
XLogP3.10
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-[(4E,5E)-4-[2-[5-(cyclohexylmethyl)-3-pyridinyl]prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 145035464
2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridine
CID 145037665
2-[(4E,5E)-5-ethylidene-4-[2-(4-methyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole
CID 145033114
2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 145246024
(3E,5E)-5-[(3E)-3-[(5E)-5-ethylidene-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)hepta-1,3,5-trien-3-amine
CID 145035100
7-pyridin-2-yl-2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridine
CID 136937783
2-[5-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 137032926
7-pyridin-4-yl-2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridine
CID 136937796
2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 145034014
2-[5-[(2E,4E)-5-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 145036151
2-[(4E,5E)-5-ethylidene-4-(2-pyridin-4-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 145033555
5-pyridin-2-yl-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136937369

Frequently Asked Questions

What is the IUPAC name of 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (CID 145035050) is 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is C=C(/C=c1/c(-c2nc3nccc(-c4ccncc4)c3[nH]2)n[nH]/c1=C/C)c1ccccn1.
What is the InChIKey of 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is BLJFOKSIJSZFGM-OKTPQDQNSA-N. The full InChI is InChI=1S/C24H19N7/c1-3-19-18(14-15(2)20-6-4-5-10-26-20)22(31-30-19)24-28-21-17(9-13-27-23(21)29-24)16-7-11-25-12-8-16/h3-14,30H,2H2,1H3,(H,27,28,29)/b18-14+,19-3+.
What are the key properties of 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 405.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145035050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).